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CHEMBLOCK-ZINC04547187

 MMsINC code: MMs00556171
Type: Neutral
Formula: C10H22N2O2
SMILES:   O(C(=O)C(N)CCCCN)CCCC
InChI:   InChI=1/C10H22N2O2/c1-2-3-8-14-10(13)9(12)6-4-5-7-11/h9H,2-8,11-12H2,1H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=23.7879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -1.03094  SlogP: 0.786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354153  Sterimol/B1: 2.58282  Sterimol/B2: 2.75953  Sterimol/B3: 3.16766
  Sterimol/B4: 6.29852  Sterimol/L: 16.6803 
 
 Surface and Volume Properties
  Accessible surface: 485.42  Positive charged surface: 385.356  Negative charged surface: 100.064  Volume: 221.25
  Hydrophobic surface: 310.918  Hydrophilic surface: 174.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00556172
CHEMBLOCK-ZINC04547187